N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine

C19H24ClN — CID 105018545

IUPACN-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1cccc(CC)c1
InChIInChI=1S/C19H24ClN/c1-4-9-21-19(16-8-6-7-15(5-2)12-16)17-10-14(3)11-18(20)13-17/h6-8,10-13,19,21H,4-5,9H2,1-3H3
InChIKeyOGVZCRDXLBGGIU-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.30
Rot. Bonds6

About N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine

N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine (PubChem CID 105018545) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
PubChem CID105018545
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(Cl)c1)c1cccc(CC)c1
InChIInChI=1S/C19H24ClN/c1-4-9-21-19(16-8-6-7-15(5-2)12-16)17-10-14(3)11-18(20)13-17/h6-8,10-13,19,21H,4-5,9H2,1-3H3
InChIKeyOGVZCRDXLBGGIU-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chloro-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991233
N-[(3-chloro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792668
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine (CID 105018545) is N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(Cl)c1)c1cccc(CC)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
The InChIKey is OGVZCRDXLBGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-9-21-19(16-8-6-7-15(5-2)12-16)17-10-14(3)11-18(20)13-17/h6-8,10-13,19,21H,4-5,9H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine?
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105018545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).